Pm2MnRh3
Alexandria ALEXAlex-ID: agm005686595 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_9_spg194
Pm2MnRh3
2023-08-22 19:08:48.557873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686595).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005686595
data_agm005686595
_cell_length_a 5.60843
_cell_length_b 5.60843
_cell_length_c 8.22710
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99999
_cell_volume 224.10922
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.66667 0.33333 0.43879 1.00000
Pm2 Pm 0.33333 0.66667 0.56121 1.00000
Pm3 Pm 0.33333 0.66667 0.93879 1.00000
Pm4 Pm 0.66667 0.33333 0.06121 1.00000
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.16747 0.33493 0.25000 1.00000
Rh2 Rh 0.33493 0.16747 0.75000 1.00000
Rh3 Rh 0.83253 0.66507 0.75000 1.00000
Rh4 Rh 0.16747 0.83253 0.25000 1.00000
Rh5 Rh 0.83253 0.16747 0.75000 1.00000
Rh6 Rh 0.66507 0.83253 0.25000 1.00000
Get direct link